SCHEMBL11456049

SCHEMBL11456049

Cc1ccc(-c2ccc(C(C)[S+]([O-])CC(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.46
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11455506 0.84 GRIA4 (0.38) FFAR1MMP1MMP2MMP3MMP7
SCHEMBL11445061 0.77 GRIA4 (0.47) FFAR1MAPTPTGS2PPARGPPARA
SCHEMBL11446013 0.75 PTGS2 (0.45) MAPTPTGS2ALDH1A1CTSSCTSK
SCHEMBL11829130 0.74 ALDH1A1 (0.50) ACHEMAPTALDH1A1
SCHEMBL11446798 0.71 FFAR1 (0.48) FFAR1ACHEMAPTPTGS2GRIA4
SCHEMBL11445724 0.71 LMNA (0.59) FFAR1MAPTPTGS2AKR1C3AKR1C2
SCHEMBL11455719 0.71 ALOX5 (0.45) FFAR1MMP1MMP2MMP3MMP7
SCHEMBL11465011 0.71 ALDH1A1 (0.43) FFAR1MMP1MMP2MMP3MMP7
SCHEMBL2996427 0.69 FFAR1 (0.61) FFAR1ACHEMAPT
SCHEMBL11445301 0.69 HAO1 (0.42) MMP1MMP2MMP3MMP9MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4191776-A ANTITHROMBOTICS, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DE) 1980-03-04 — — US disclosed
US-4187225-A Novel synthesis of bis pyrazolone oxonol dyes POLAROID CORPORATION (US) 1980-02-05 — — US disclosed
US-3993683-A ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-23 — — US disclosed
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